SCHEMBL4136278

SCHEMBL4136278

CC(C)C[C@@H](C(N)=O)N(CCCCNS(=O)(=O)c1ccc(F)cc1Cl)C(=O)C(C)(C)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 1/20 0.39
ADAM17 P78536 1/20 0.36
CCR1 P32246 1/20 0.35
FABP4 P15090 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TRPV4 Q9HBA0 3/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.32
CNR2 P34972 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5435367 0.84 BMP1 (0.40) BMP1ADAM17CCR1FABP4CYP3A4
SCHEMBL4128183 0.84 CCR1 (0.37) BMP1ADAM17CCR1TRPV4
SCHEMBL4140703 0.82 TRPV4 (0.37) BMP1ADAM17CCR1TRPV4GAA
SCHEMBL4136152 0.81 BMP1 (0.39) BMP1ADAM17CCR1FABP4CYP3A4
SCHEMBL4141037 0.81 BMP1 (0.37) BMP1ADAM17CCR1FABP4TRPV4
SCHEMBL4139891 0.80 BMP1 (0.39) BMP1ADAM17CCR1TRPV4
SCHEMBL4141257 0.80 CCR1 (0.41) BMP1ADAM17CCR1TRPV4GAA
SCHEMBL4136298 0.80 CCR1 (0.38) BMP1ADAM17CCR1TRPV4ATM
SCHEMBL4135938 0.80 BMP1 (0.36) BMP1ADAM17CCR1FABP4TRPV4
SCHEMBL4145546 0.80 CCR1 (0.35) BMP1ADAM17CCR1TRPV4GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US claimed
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 BMP1 2172/4885ADAM17 2364/4885CCR1 766/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.